CID 3057461

1-(o-chloro-alpha-ethylbenzyl)pyrrolidine hydrochloride

Structural Information

Molecular Formula
C13H18ClN
SMILES
CCC(C1=CC=CC=C1Cl)N2CCCC2
InChI
InChI=1S/C13H18ClN/c1-2-13(15-9-5-6-10-15)11-7-3-4-8-12(11)14/h3-4,7-8,13H,2,5-6,9-10H2,1H3
InChIKey
ZSDKOSORYJQMQM-UHFFFAOYSA-N
Compound name
1-[1-(2-chlorophenyl)propyl]pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

223.11278 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.12006 152.4
[M+Na]+ 246.10200 158.8
[M-H]- 222.10550 156.8
[M+NH4]+ 241.14660 171.7
[M+K]+ 262.07594 154.1
[M+H-H2O]+ 206.11004 145.3
[M+HCOO]- 268.11098 168.0
[M+CH3COO]- 282.12663 188.1
[M+Na-2H]- 244.08745 153.8
[M]+ 223.11223 151.2
[M]- 223.11333 151.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe